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4-Pyrimidinecarboxylic acid, 1-(2-chloro-2-deoxy-.beta.-D-ribofuranosyl)-1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester
SpectraBase Compound ID C945iBbGgvS
InChI InChI=1S/C11H13ClN2O7/c1-20-10(18)4-2-6(16)13-11(19)14(4)9-7(12)8(17)5(3-15)21-9/h2,5,7-9,15,17H,3H2,1H3,(H,13,16,19)/t5-,7-,8-,9-/m1/s1
InChIKey AHONDWCLPQZWGO-ZOQUXTDFSA-N
Mol Weight 320.69 g/mol
Molecular Formula C11H13ClN2O7
Exact Mass 320.041128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsyaeKbVUQ
Name 4-Pyrimidinecarboxylic acid, 1-(2-chloro-2-deoxy-.beta.-D-ribofuranosyl)-1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester
Alternate Name(s) 1-.beta.-D-(2-chloro-2-deoxyribofuranosyl)-6-carbomethoxyuracil Methyl 3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CAS Registry Number 81100-34-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13ClN2O7
InChI InChI=1S/C11H13ClN2O7/c1-20-10(18)4-2-6(16)13-11(19)14(4)9-7(12)8(17)5(3-15)21-9/h2,5,7-9,15,17H,3H2,1H3,(H,13,16,19)/t5-,7-,8-,9-/m1/s1
InChIKey AHONDWCLPQZWGO-ZOQUXTDFSA-N
Molecular Weight 320.685 g/mol
SMILES N1C(C=C(N([C@@]2(O[C@](CO)([C@]([C@]2(Cl)[H])(O)[H])[H])[H])C1=O)C(=O)OC)=O
SPLASH splash10-0fft-0950000000-9bfd828225b3360635ea
Source of Spectrum KO-9-227-1
Wiley ID 1319650